USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -86:sc= 1.65 USER MOD Set 1.2: A 51 THR OG1 : rot -92:sc= 1.35 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.085 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 20 THR OG1 : rot -132:sc= -0.449 USER MOD Single : A 25 TYR OH : rot 180:sc=-0.000139 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 67:sc= 0.792 USER MOD Single : A 37 MET CE :methyl -175:sc= 0 (180deg=-0.0384) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.177) USER MOD Single : A 47 SER OG : rot 71:sc= 0.199 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -156:sc= 1.29 USER MOD Single : A 57 ASN : amide:sc= -3.47! C(o=-3.5!,f=-5.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.36! C(o=-2.4!,f=-1.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 37:sc= 0.533 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.156 -2.378 -16.123 1.00 0.00 N ATOM 2 CA GLY A 1 -7.117 -1.350 -15.100 1.00 0.00 C ATOM 3 C GLY A 1 -7.271 -1.918 -13.702 1.00 0.00 C ATOM 4 O GLY A 1 -7.131 -3.123 -13.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.326 -2.283 -16.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.148 -3.316 -15.673 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.023 -2.273 -16.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.173 -0.810 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.912 -0.627 -15.285 1.00 0.00 H new ATOM 8 N SER A 2 -7.559 -1.047 -12.740 1.00 0.00 N ATOM 9 CA SER A 2 -7.727 -1.467 -11.354 1.00 0.00 C ATOM 10 C SER A 2 -8.958 -0.813 -10.733 1.00 0.00 C ATOM 11 O SER A 2 -9.120 0.406 -10.786 1.00 0.00 O ATOM 12 CB SER A 2 -6.482 -1.115 -10.538 1.00 0.00 C ATOM 13 OG SER A 2 -6.326 -1.996 -9.439 1.00 0.00 O ATOM 0 H SER A 2 -7.681 -0.046 -12.895 1.00 0.00 H new ATOM 0 HA SER A 2 -7.867 -2.548 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.599 -1.165 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.558 -0.089 -10.178 1.00 0.00 H new ATOM 0 HG SER A 2 -5.522 -1.751 -8.935 1.00 0.00 H new ATOM 19 N SER A 3 -9.823 -1.633 -10.145 1.00 0.00 N ATOM 20 CA SER A 3 -11.041 -1.137 -9.517 1.00 0.00 C ATOM 21 C SER A 3 -10.874 -1.046 -8.003 1.00 0.00 C ATOM 22 O SER A 3 -11.085 0.008 -7.406 1.00 0.00 O ATOM 23 CB SER A 3 -12.223 -2.047 -9.858 1.00 0.00 C ATOM 24 OG SER A 3 -13.456 -1.411 -9.569 1.00 0.00 O ATOM 0 H SER A 3 -9.702 -2.644 -10.091 1.00 0.00 H new ATOM 0 HA SER A 3 -11.238 -0.137 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.187 -2.315 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.147 -2.975 -9.291 1.00 0.00 H new ATOM 0 HG SER A 3 -14.196 -2.012 -9.797 1.00 0.00 H new ATOM 30 N GLY A 4 -10.494 -2.162 -7.388 1.00 0.00 N ATOM 31 CA GLY A 4 -10.305 -2.189 -5.950 1.00 0.00 C ATOM 32 C GLY A 4 -11.350 -3.030 -5.243 1.00 0.00 C ATOM 33 O GLY A 4 -12.190 -2.504 -4.513 1.00 0.00 O ATOM 0 H GLY A 4 -10.314 -3.048 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.314 -2.582 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.340 -1.171 -5.563 1.00 0.00 H new ATOM 37 N SER A 5 -11.300 -4.340 -5.462 1.00 0.00 N ATOM 38 CA SER A 5 -12.253 -5.255 -4.845 1.00 0.00 C ATOM 39 C SER A 5 -11.951 -5.433 -3.360 1.00 0.00 C ATOM 40 O SER A 5 -10.884 -5.919 -2.986 1.00 0.00 O ATOM 41 CB SER A 5 -12.219 -6.612 -5.550 1.00 0.00 C ATOM 42 OG SER A 5 -12.497 -6.475 -6.933 1.00 0.00 O ATOM 0 H SER A 5 -10.610 -4.791 -6.062 1.00 0.00 H new ATOM 0 HA SER A 5 -13.250 -4.826 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.239 -7.070 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.949 -7.281 -5.094 1.00 0.00 H new ATOM 0 HG SER A 5 -12.468 -7.356 -7.361 1.00 0.00 H new ATOM 48 N SER A 6 -12.900 -5.036 -2.518 1.00 0.00 N ATOM 49 CA SER A 6 -12.736 -5.148 -1.073 1.00 0.00 C ATOM 50 C SER A 6 -11.358 -4.654 -0.643 1.00 0.00 C ATOM 51 O SER A 6 -10.731 -5.227 0.246 1.00 0.00 O ATOM 52 CB SER A 6 -12.933 -6.598 -0.627 1.00 0.00 C ATOM 53 OG SER A 6 -14.247 -7.046 -0.913 1.00 0.00 O ATOM 0 H SER A 6 -13.790 -4.634 -2.811 1.00 0.00 H new ATOM 0 HA SER A 6 -13.492 -4.523 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.209 -7.238 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.742 -6.682 0.443 1.00 0.00 H new ATOM 0 HG SER A 6 -14.347 -7.976 -0.620 1.00 0.00 H new ATOM 59 N GLY A 7 -10.893 -3.585 -1.283 1.00 0.00 N ATOM 60 CA GLY A 7 -9.593 -3.031 -0.954 1.00 0.00 C ATOM 61 C GLY A 7 -9.626 -2.177 0.298 1.00 0.00 C ATOM 62 O GLY A 7 -10.497 -1.321 0.451 1.00 0.00 O ATOM 0 H GLY A 7 -11.394 -3.093 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.879 -3.844 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.235 -2.430 -1.790 1.00 0.00 H new ATOM 66 N LYS A 8 -8.676 -2.411 1.197 1.00 0.00 N ATOM 67 CA LYS A 8 -8.599 -1.658 2.443 1.00 0.00 C ATOM 68 C LYS A 8 -7.866 -0.336 2.235 1.00 0.00 C ATOM 69 O LYS A 8 -7.026 -0.215 1.343 1.00 0.00 O ATOM 70 CB LYS A 8 -7.891 -2.483 3.519 1.00 0.00 C ATOM 71 CG LYS A 8 -8.818 -3.416 4.278 1.00 0.00 C ATOM 72 CD LYS A 8 -9.683 -2.657 5.271 1.00 0.00 C ATOM 73 CE LYS A 8 -10.753 -3.552 5.876 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.768 -2.769 6.634 1.00 0.00 N ATOM 0 H LYS A 8 -7.948 -3.117 1.086 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.616 -1.442 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.100 -3.070 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.411 -1.807 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.455 -3.950 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.229 -4.166 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.056 -2.250 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.155 -1.811 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.246 -4.115 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.285 -4.279 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.480 -3.415 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.302 -2.252 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.233 -2.092 5.995 1.00 0.00 H new ATOM 88 N VAL A 9 -8.187 0.651 3.065 1.00 0.00 N ATOM 89 CA VAL A 9 -7.557 1.962 2.974 1.00 0.00 C ATOM 90 C VAL A 9 -6.686 2.239 4.195 1.00 0.00 C ATOM 91 O VAL A 9 -7.193 2.448 5.298 1.00 0.00 O ATOM 92 CB VAL A 9 -8.606 3.081 2.841 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.932 4.444 2.802 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.461 2.865 1.602 1.00 0.00 C ATOM 0 H VAL A 9 -8.880 0.567 3.809 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.933 1.952 2.081 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.257 3.049 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.690 5.222 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.367 4.597 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.255 4.491 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.197 3.665 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.826 2.869 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.974 1.906 1.677 1.00 0.00 H new ATOM 104 N PHE A 10 -5.373 2.240 3.990 1.00 0.00 N ATOM 105 CA PHE A 10 -4.431 2.491 5.074 1.00 0.00 C ATOM 106 C PHE A 10 -3.700 3.814 4.864 1.00 0.00 C ATOM 107 O PHE A 10 -3.409 4.202 3.732 1.00 0.00 O ATOM 108 CB PHE A 10 -3.420 1.347 5.175 1.00 0.00 C ATOM 109 CG PHE A 10 -3.922 0.171 5.963 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.951 -0.618 5.475 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.364 -0.146 7.191 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.415 -1.700 6.198 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.824 -1.228 7.918 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.850 -2.006 7.420 1.00 0.00 C ATOM 0 H PHE A 10 -4.937 2.070 3.083 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.995 2.551 6.005 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.157 1.015 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.506 1.720 5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.395 -0.385 4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.561 0.459 7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.219 -2.306 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.381 -1.464 8.874 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.210 -2.853 7.985 1.00 0.00 H new ATOM 124 N ARG A 11 -3.407 4.502 5.963 1.00 0.00 N ATOM 125 CA ARG A 11 -2.712 5.783 5.899 1.00 0.00 C ATOM 126 C ARG A 11 -1.264 5.638 6.360 1.00 0.00 C ATOM 127 O ARG A 11 -0.965 4.861 7.265 1.00 0.00 O ATOM 128 CB ARG A 11 -3.431 6.821 6.762 1.00 0.00 C ATOM 129 CG ARG A 11 -2.755 8.182 6.768 1.00 0.00 C ATOM 130 CD ARG A 11 -3.647 9.244 7.391 1.00 0.00 C ATOM 131 NE ARG A 11 -3.644 9.175 8.850 1.00 0.00 N ATOM 132 CZ ARG A 11 -2.656 9.641 9.606 1.00 0.00 C ATOM 133 NH1 ARG A 11 -1.598 10.208 9.044 1.00 0.00 N ATOM 134 NH2 ARG A 11 -2.727 9.541 10.928 1.00 0.00 N ATOM 0 H ARG A 11 -3.640 4.195 6.907 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.714 6.118 4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.454 6.934 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.492 6.451 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.818 8.122 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.504 8.469 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.311 10.231 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.666 9.122 7.025 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.444 8.745 9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.541 10.287 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.841 10.565 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.540 9.106 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.968 9.899 11.508 1.00 0.00 H new ATOM 148 N ALA A 12 -0.370 6.392 5.728 1.00 0.00 N ATOM 149 CA ALA A 12 1.045 6.350 6.073 1.00 0.00 C ATOM 150 C ALA A 12 1.352 7.272 7.249 1.00 0.00 C ATOM 151 O ALA A 12 1.319 8.496 7.116 1.00 0.00 O ATOM 152 CB ALA A 12 1.894 6.728 4.868 1.00 0.00 C ATOM 0 H ALA A 12 -0.601 7.039 4.974 1.00 0.00 H new ATOM 0 HA ALA A 12 1.290 5.331 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.949 6.692 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.705 6.026 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.637 7.736 4.544 1.00 0.00 H new ATOM 158 N LEU A 13 1.649 6.677 8.399 1.00 0.00 N ATOM 159 CA LEU A 13 1.961 7.446 9.599 1.00 0.00 C ATOM 160 C LEU A 13 3.180 8.334 9.375 1.00 0.00 C ATOM 161 O LEU A 13 3.328 9.376 10.015 1.00 0.00 O ATOM 162 CB LEU A 13 2.210 6.506 10.780 1.00 0.00 C ATOM 163 CG LEU A 13 1.064 5.560 11.138 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.548 4.469 12.081 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.090 6.332 11.760 1.00 0.00 C ATOM 0 H LEU A 13 1.680 5.665 8.526 1.00 0.00 H new ATOM 0 HA LEU A 13 1.107 8.084 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.094 5.907 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.443 7.110 11.657 1.00 0.00 H new ATOM 0 HG LEU A 13 0.707 5.089 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.719 3.805 12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.341 3.897 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.931 4.922 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.897 5.643 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.253 6.831 12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.454 7.076 11.051 1.00 0.00 H new ATOM 177 N TYR A 14 4.050 7.917 8.462 1.00 0.00 N ATOM 178 CA TYR A 14 5.257 8.675 8.153 1.00 0.00 C ATOM 179 C TYR A 14 5.839 8.249 6.809 1.00 0.00 C ATOM 180 O TYR A 14 5.384 7.280 6.200 1.00 0.00 O ATOM 181 CB TYR A 14 6.300 8.485 9.256 1.00 0.00 C ATOM 182 CG TYR A 14 5.699 8.237 10.621 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.226 6.979 10.976 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.603 9.260 11.556 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.676 6.748 12.222 1.00 0.00 C ATOM 186 CE2 TYR A 14 5.056 9.038 12.805 1.00 0.00 C ATOM 187 CZ TYR A 14 4.593 7.781 13.133 1.00 0.00 C ATOM 188 OH TYR A 14 4.046 7.555 14.375 1.00 0.00 O ATOM 0 H TYR A 14 3.942 7.058 7.923 1.00 0.00 H new ATOM 0 HA TYR A 14 4.988 9.730 8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.945 7.646 8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.933 9.371 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.290 6.168 10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.962 10.246 11.302 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.313 5.764 12.482 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.991 9.844 13.521 1.00 0.00 H new ATOM 0 HH TYR A 14 4.063 8.385 14.896 1.00 0.00 H new ATOM 198 N THR A 15 6.850 8.981 6.350 1.00 0.00 N ATOM 199 CA THR A 15 7.495 8.681 5.078 1.00 0.00 C ATOM 200 C THR A 15 8.344 7.419 5.176 1.00 0.00 C ATOM 201 O THR A 15 9.223 7.315 6.031 1.00 0.00 O ATOM 202 CB THR A 15 8.384 9.849 4.611 1.00 0.00 C ATOM 203 OG1 THR A 15 7.603 11.043 4.495 1.00 0.00 O ATOM 204 CG2 THR A 15 9.035 9.531 3.273 1.00 0.00 C ATOM 0 H THR A 15 7.239 9.786 6.841 1.00 0.00 H new ATOM 0 HA THR A 15 6.700 8.524 4.349 1.00 0.00 H new ATOM 0 HB THR A 15 9.168 9.999 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.176 11.781 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.658 10.370 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.652 8.638 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.262 9.357 2.524 1.00 0.00 H new ATOM 212 N PHE A 16 8.075 6.461 4.295 1.00 0.00 N ATOM 213 CA PHE A 16 8.814 5.204 4.283 1.00 0.00 C ATOM 214 C PHE A 16 9.867 5.203 3.179 1.00 0.00 C ATOM 215 O PHE A 16 9.709 5.869 2.156 1.00 0.00 O ATOM 216 CB PHE A 16 7.857 4.026 4.091 1.00 0.00 C ATOM 217 CG PHE A 16 8.549 2.744 3.725 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.448 2.153 4.598 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.301 2.130 2.508 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.087 0.974 4.265 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.936 0.950 2.169 1.00 0.00 C ATOM 222 CZ PHE A 16 9.831 0.372 3.048 1.00 0.00 C ATOM 0 H PHE A 16 7.351 6.531 3.580 1.00 0.00 H new ATOM 0 HA PHE A 16 9.319 5.100 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.291 3.874 5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.137 4.276 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.652 2.620 5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.603 2.579 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.785 0.524 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.733 0.480 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.330 -0.549 2.784 1.00 0.00 H new ATOM 232 N GLU A 17 10.942 4.452 3.395 1.00 0.00 N ATOM 233 CA GLU A 17 12.022 4.366 2.419 1.00 0.00 C ATOM 234 C GLU A 17 12.232 2.924 1.965 1.00 0.00 C ATOM 235 O GLU A 17 12.926 2.138 2.610 1.00 0.00 O ATOM 236 CB GLU A 17 13.320 4.919 3.011 1.00 0.00 C ATOM 237 CG GLU A 17 13.241 6.391 3.381 1.00 0.00 C ATOM 238 CD GLU A 17 12.767 6.609 4.805 1.00 0.00 C ATOM 239 OE1 GLU A 17 13.622 6.659 5.714 1.00 0.00 O ATOM 240 OE2 GLU A 17 11.541 6.730 5.011 1.00 0.00 O ATOM 0 H GLU A 17 11.088 3.895 4.237 1.00 0.00 H new ATOM 0 HA GLU A 17 11.742 4.965 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.579 4.343 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.127 4.776 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.223 6.847 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.563 6.899 2.695 1.00 0.00 H new ATOM 247 N PRO A 18 11.617 2.567 0.828 1.00 0.00 N ATOM 248 CA PRO A 18 11.721 1.218 0.262 1.00 0.00 C ATOM 249 C PRO A 18 13.114 0.924 -0.284 1.00 0.00 C ATOM 250 O PRO A 18 13.543 1.522 -1.271 1.00 0.00 O ATOM 251 CB PRO A 18 10.693 1.230 -0.873 1.00 0.00 C ATOM 252 CG PRO A 18 10.571 2.664 -1.258 1.00 0.00 C ATOM 253 CD PRO A 18 10.774 3.452 0.007 1.00 0.00 C ATOM 0 HA PRO A 18 11.541 0.447 1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.025 0.621 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.736 0.825 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.316 2.931 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.593 2.869 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.264 4.406 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.827 3.674 0.498 1.00 0.00 H new ATOM 261 N ARG A 19 13.815 0.000 0.364 1.00 0.00 N ATOM 262 CA ARG A 19 15.160 -0.372 -0.057 1.00 0.00 C ATOM 263 C ARG A 19 15.118 -1.220 -1.326 1.00 0.00 C ATOM 264 O ARG A 19 16.058 -1.212 -2.122 1.00 0.00 O ATOM 265 CB ARG A 19 15.873 -1.140 1.058 1.00 0.00 C ATOM 266 CG ARG A 19 16.431 -0.245 2.153 1.00 0.00 C ATOM 267 CD ARG A 19 15.363 0.121 3.172 1.00 0.00 C ATOM 268 NE ARG A 19 14.872 -1.050 3.894 1.00 0.00 N ATOM 269 CZ ARG A 19 14.269 -0.985 5.076 1.00 0.00 C ATOM 270 NH1 ARG A 19 14.084 0.187 5.666 1.00 0.00 N ATOM 271 NH2 ARG A 19 13.850 -2.095 5.670 1.00 0.00 N ATOM 0 H ARG A 19 13.474 -0.505 1.182 1.00 0.00 H new ATOM 0 HA ARG A 19 15.713 0.543 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.176 -1.851 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.687 -1.721 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.255 -0.752 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.839 0.663 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.771 0.840 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.531 0.610 2.665 1.00 0.00 H new ATOM 0 HE ARG A 19 14.999 -1.968 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.405 1.043 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.621 0.234 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.991 -2.999 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.387 -2.044 6.578 1.00 0.00 H new ATOM 285 N THR A 20 14.023 -1.950 -1.507 1.00 0.00 N ATOM 286 CA THR A 20 13.858 -2.804 -2.676 1.00 0.00 C ATOM 287 C THR A 20 12.987 -2.131 -3.731 1.00 0.00 C ATOM 288 O THR A 20 12.073 -1.368 -3.420 1.00 0.00 O ATOM 289 CB THR A 20 13.233 -4.160 -2.299 1.00 0.00 C ATOM 290 OG1 THR A 20 11.895 -3.967 -1.824 1.00 0.00 O ATOM 291 CG2 THR A 20 14.059 -4.859 -1.230 1.00 0.00 C ATOM 0 H THR A 20 13.236 -1.967 -0.858 1.00 0.00 H new ATOM 0 HA THR A 20 14.854 -2.973 -3.085 1.00 0.00 H new ATOM 0 HB THR A 20 13.216 -4.787 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.767 -4.470 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.597 -5.814 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.068 -5.030 -1.604 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.104 -4.234 -0.338 1.00 0.00 H new ATOM 299 N PRO A 21 13.274 -2.420 -5.009 1.00 0.00 N ATOM 300 CA PRO A 21 12.527 -1.853 -6.135 1.00 0.00 C ATOM 301 C PRO A 21 11.108 -2.406 -6.226 1.00 0.00 C ATOM 302 O PRO A 21 10.298 -1.934 -7.025 1.00 0.00 O ATOM 303 CB PRO A 21 13.346 -2.280 -7.355 1.00 0.00 C ATOM 304 CG PRO A 21 14.066 -3.508 -6.918 1.00 0.00 C ATOM 305 CD PRO A 21 14.350 -3.322 -5.453 1.00 0.00 C ATOM 0 HA PRO A 21 12.406 -0.774 -6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.703 -2.482 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.043 -1.499 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.459 -4.397 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.990 -3.640 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.327 -4.270 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.335 -2.885 -5.287 1.00 0.00 H new ATOM 313 N ASP A 22 10.815 -3.407 -5.404 1.00 0.00 N ATOM 314 CA ASP A 22 9.493 -4.023 -5.391 1.00 0.00 C ATOM 315 C ASP A 22 8.572 -3.312 -4.405 1.00 0.00 C ATOM 316 O ASP A 22 7.349 -3.374 -4.529 1.00 0.00 O ATOM 317 CB ASP A 22 9.601 -5.505 -5.029 1.00 0.00 C ATOM 318 CG ASP A 22 10.066 -6.354 -6.196 1.00 0.00 C ATOM 319 OD1 ASP A 22 9.313 -6.463 -7.186 1.00 0.00 O ATOM 320 OD2 ASP A 22 11.182 -6.909 -6.119 1.00 0.00 O ATOM 0 H ASP A 22 11.475 -3.809 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 22 9.067 -3.931 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.296 -5.623 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.631 -5.864 -4.686 1.00 0.00 H new ATOM 325 N GLU A 23 9.168 -2.637 -3.427 1.00 0.00 N ATOM 326 CA GLU A 23 8.399 -1.916 -2.419 1.00 0.00 C ATOM 327 C GLU A 23 7.867 -0.600 -2.979 1.00 0.00 C ATOM 328 O GLU A 23 8.297 -0.145 -4.040 1.00 0.00 O ATOM 329 CB GLU A 23 9.262 -1.646 -1.184 1.00 0.00 C ATOM 330 CG GLU A 23 9.510 -2.880 -0.333 1.00 0.00 C ATOM 331 CD GLU A 23 10.838 -2.829 0.397 1.00 0.00 C ATOM 332 OE1 GLU A 23 11.262 -1.719 0.781 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.453 -3.899 0.584 1.00 0.00 O ATOM 0 H GLU A 23 10.179 -2.574 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 23 7.551 -2.538 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.220 -1.237 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.778 -0.885 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.704 -2.983 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.482 -3.766 -0.968 1.00 0.00 H new ATOM 340 N LEU A 24 6.930 0.006 -2.259 1.00 0.00 N ATOM 341 CA LEU A 24 6.337 1.270 -2.683 1.00 0.00 C ATOM 342 C LEU A 24 6.745 2.403 -1.747 1.00 0.00 C ATOM 343 O LEU A 24 6.759 2.240 -0.527 1.00 0.00 O ATOM 344 CB LEU A 24 4.813 1.152 -2.726 1.00 0.00 C ATOM 345 CG LEU A 24 4.048 2.442 -3.027 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.128 2.776 -4.508 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.598 2.318 -2.583 1.00 0.00 C ATOM 0 H LEU A 24 6.564 -0.357 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 24 6.705 1.499 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.547 0.411 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.471 0.766 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 24 4.510 3.255 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.578 3.697 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.171 2.908 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.692 1.963 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.069 3.245 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.124 1.493 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.561 2.127 -1.511 1.00 0.00 H new ATOM 359 N TYR A 25 7.075 3.552 -2.326 1.00 0.00 N ATOM 360 CA TYR A 25 7.483 4.713 -1.544 1.00 0.00 C ATOM 361 C TYR A 25 6.308 5.661 -1.322 1.00 0.00 C ATOM 362 O TYR A 25 5.618 6.046 -2.266 1.00 0.00 O ATOM 363 CB TYR A 25 8.623 5.453 -2.247 1.00 0.00 C ATOM 364 CG TYR A 25 8.767 6.894 -1.814 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.442 7.224 -0.645 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.229 7.926 -2.573 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.576 8.540 -0.245 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.359 9.244 -2.181 1.00 0.00 C ATOM 369 CZ TYR A 25 9.033 9.546 -1.016 1.00 0.00 C ATOM 370 OH TYR A 25 9.164 10.858 -0.622 1.00 0.00 O ATOM 0 H TYR A 25 7.068 3.704 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 25 7.831 4.361 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.559 4.929 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.456 5.421 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.869 6.439 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.700 7.694 -3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.103 8.779 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.935 10.034 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 25 8.726 11.441 -1.276 1.00 0.00 H new ATOM 380 N PHE A 26 6.087 6.033 -0.065 1.00 0.00 N ATOM 381 CA PHE A 26 4.996 6.936 0.283 1.00 0.00 C ATOM 382 C PHE A 26 5.472 8.019 1.247 1.00 0.00 C ATOM 383 O PHE A 26 6.534 7.897 1.857 1.00 0.00 O ATOM 384 CB PHE A 26 3.839 6.153 0.910 1.00 0.00 C ATOM 385 CG PHE A 26 4.288 5.041 1.813 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.778 3.857 1.286 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.220 5.179 3.190 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.192 2.831 2.115 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.633 4.157 4.024 1.00 0.00 C ATOM 390 CZ PHE A 26 5.118 2.981 3.486 1.00 0.00 C ATOM 0 H PHE A 26 6.648 5.723 0.728 1.00 0.00 H new ATOM 0 HA PHE A 26 4.649 7.416 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.211 6.840 1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.219 5.737 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.837 3.734 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.840 6.096 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.573 1.914 1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.576 4.278 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.439 2.180 4.136 1.00 0.00 H new ATOM 400 N GLU A 27 4.679 9.077 1.377 1.00 0.00 N ATOM 401 CA GLU A 27 5.021 10.183 2.265 1.00 0.00 C ATOM 402 C GLU A 27 3.969 10.348 3.358 1.00 0.00 C ATOM 403 O GLU A 27 2.789 10.071 3.144 1.00 0.00 O ATOM 404 CB GLU A 27 5.154 11.483 1.469 1.00 0.00 C ATOM 405 CG GLU A 27 6.448 11.583 0.678 1.00 0.00 C ATOM 406 CD GLU A 27 6.917 13.015 0.505 1.00 0.00 C ATOM 407 OE1 GLU A 27 6.083 13.872 0.145 1.00 0.00 O ATOM 408 OE2 GLU A 27 8.116 13.278 0.729 1.00 0.00 O ATOM 0 H GLU A 27 3.796 9.192 0.880 1.00 0.00 H new ATOM 0 HA GLU A 27 5.977 9.955 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.311 11.567 0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.091 12.327 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.224 11.009 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.306 11.130 -0.303 1.00 0.00 H new ATOM 415 N GLU A 28 4.407 10.801 4.528 1.00 0.00 N ATOM 416 CA GLU A 28 3.503 11.001 5.655 1.00 0.00 C ATOM 417 C GLU A 28 2.171 11.581 5.188 1.00 0.00 C ATOM 418 O GLU A 28 2.133 12.585 4.478 1.00 0.00 O ATOM 419 CB GLU A 28 4.141 11.930 6.690 1.00 0.00 C ATOM 420 CG GLU A 28 3.218 12.278 7.846 1.00 0.00 C ATOM 421 CD GLU A 28 3.744 13.425 8.687 1.00 0.00 C ATOM 422 OE1 GLU A 28 4.065 14.485 8.111 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.835 13.262 9.922 1.00 0.00 O ATOM 0 H GLU A 28 5.381 11.036 4.720 1.00 0.00 H new ATOM 0 HA GLU A 28 3.316 10.030 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.041 11.458 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.454 12.850 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.235 12.540 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.086 11.400 8.478 1.00 0.00 H new ATOM 430 N GLY A 29 1.079 10.939 5.591 1.00 0.00 N ATOM 431 CA GLY A 29 -0.241 11.404 5.204 1.00 0.00 C ATOM 432 C GLY A 29 -0.553 11.116 3.749 1.00 0.00 C ATOM 433 O GLY A 29 -0.910 12.019 2.993 1.00 0.00 O ATOM 0 H GLY A 29 1.084 10.105 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.991 10.926 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.312 12.477 5.382 1.00 0.00 H new ATOM 437 N ASP A 30 -0.418 9.854 3.356 1.00 0.00 N ATOM 438 CA ASP A 30 -0.688 9.449 1.981 1.00 0.00 C ATOM 439 C ASP A 30 -1.595 8.223 1.945 1.00 0.00 C ATOM 440 O ASP A 30 -1.288 7.193 2.547 1.00 0.00 O ATOM 441 CB ASP A 30 0.621 9.152 1.248 1.00 0.00 C ATOM 442 CG ASP A 30 1.294 10.410 0.733 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.241 11.441 1.436 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.874 10.362 -0.371 1.00 0.00 O ATOM 0 H ASP A 30 -0.123 9.094 3.970 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.198 10.271 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.301 8.629 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.422 8.481 0.412 1.00 0.00 H new ATOM 449 N ILE A 31 -2.712 8.341 1.236 1.00 0.00 N ATOM 450 CA ILE A 31 -3.663 7.242 1.121 1.00 0.00 C ATOM 451 C ILE A 31 -3.014 6.017 0.486 1.00 0.00 C ATOM 452 O ILE A 31 -2.160 6.140 -0.392 1.00 0.00 O ATOM 453 CB ILE A 31 -4.894 7.647 0.288 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.612 8.830 0.940 1.00 0.00 C ATOM 455 CG2 ILE A 31 -5.840 6.467 0.133 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.060 8.558 2.359 1.00 0.00 C ATOM 0 H ILE A 31 -2.981 9.186 0.732 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.984 6.996 2.133 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.559 7.952 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.948 9.694 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.481 9.094 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.705 6.769 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.323 5.650 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.171 6.134 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.561 9.440 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.750 7.714 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.192 8.324 2.976 1.00 0.00 H new ATOM 468 N ILE A 32 -3.427 4.837 0.935 1.00 0.00 N ATOM 469 CA ILE A 32 -2.887 3.589 0.409 1.00 0.00 C ATOM 470 C ILE A 32 -3.971 2.521 0.308 1.00 0.00 C ATOM 471 O ILE A 32 -4.875 2.458 1.141 1.00 0.00 O ATOM 472 CB ILE A 32 -1.739 3.057 1.286 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.747 4.179 1.601 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.035 1.900 0.594 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.452 3.719 2.401 1.00 0.00 C ATOM 0 H ILE A 32 -4.133 4.719 1.661 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.501 3.808 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.158 2.693 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.402 4.621 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.263 4.964 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.226 1.535 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.748 1.095 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.626 2.240 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.112 4.566 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.118 3.304 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.992 2.955 1.841 1.00 0.00 H new ATOM 487 N TYR A 33 -3.873 1.682 -0.717 1.00 0.00 N ATOM 488 CA TYR A 33 -4.845 0.616 -0.928 1.00 0.00 C ATOM 489 C TYR A 33 -4.221 -0.751 -0.662 1.00 0.00 C ATOM 490 O TYR A 33 -3.462 -1.269 -1.482 1.00 0.00 O ATOM 491 CB TYR A 33 -5.391 0.670 -2.356 1.00 0.00 C ATOM 492 CG TYR A 33 -6.627 1.530 -2.499 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.526 2.909 -2.637 1.00 0.00 C ATOM 494 CD2 TYR A 33 -7.895 0.963 -2.497 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.653 3.698 -2.767 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.027 1.744 -2.628 1.00 0.00 C ATOM 497 CZ TYR A 33 -8.901 3.111 -2.762 1.00 0.00 C ATOM 498 OH TYR A 33 -10.025 3.893 -2.893 1.00 0.00 O ATOM 0 H TYR A 33 -3.130 1.719 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.666 0.764 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.614 1.051 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.623 -0.343 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.550 3.372 -2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.998 -0.107 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.557 4.769 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.005 1.287 -2.626 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.823 3.325 -2.871 1.00 0.00 H new ATOM 508 N ILE A 34 -4.548 -1.329 0.488 1.00 0.00 N ATOM 509 CA ILE A 34 -4.022 -2.636 0.862 1.00 0.00 C ATOM 510 C ILE A 34 -5.030 -3.741 0.562 1.00 0.00 C ATOM 511 O ILE A 34 -6.017 -3.908 1.279 1.00 0.00 O ATOM 512 CB ILE A 34 -3.651 -2.687 2.356 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.682 -1.555 2.703 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.044 -4.038 2.705 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.284 -1.772 2.167 1.00 0.00 C ATOM 0 H ILE A 34 -5.175 -0.913 1.177 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.123 -2.796 0.267 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.559 -2.555 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.073 -0.618 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.635 -1.447 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.787 -4.059 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.765 -4.827 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.145 -4.197 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.651 -0.931 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.873 -2.692 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.319 -1.850 1.080 1.00 0.00 H new ATOM 527 N THR A 35 -4.773 -4.495 -0.503 1.00 0.00 N ATOM 528 CA THR A 35 -5.657 -5.584 -0.898 1.00 0.00 C ATOM 529 C THR A 35 -5.033 -6.939 -0.585 1.00 0.00 C ATOM 530 O THR A 35 -5.737 -7.901 -0.274 1.00 0.00 O ATOM 531 CB THR A 35 -5.989 -5.520 -2.401 1.00 0.00 C ATOM 532 OG1 THR A 35 -4.783 -5.552 -3.172 1.00 0.00 O ATOM 533 CG2 THR A 35 -6.774 -4.259 -2.728 1.00 0.00 C ATOM 0 H THR A 35 -3.960 -4.371 -1.107 1.00 0.00 H new ATOM 0 HA THR A 35 -6.577 -5.469 -0.324 1.00 0.00 H new ATOM 0 HB THR A 35 -6.602 -6.386 -2.652 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.351 -6.425 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.997 -4.236 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.706 -4.253 -2.162 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.183 -3.383 -2.462 1.00 0.00 H new ATOM 541 N ASP A 36 -3.709 -7.009 -0.667 1.00 0.00 N ATOM 542 CA ASP A 36 -2.990 -8.247 -0.390 1.00 0.00 C ATOM 543 C ASP A 36 -2.401 -8.231 1.017 1.00 0.00 C ATOM 544 O ASP A 36 -1.483 -7.464 1.308 1.00 0.00 O ATOM 545 CB ASP A 36 -1.877 -8.457 -1.419 1.00 0.00 C ATOM 546 CG ASP A 36 -2.317 -8.107 -2.827 1.00 0.00 C ATOM 547 OD1 ASP A 36 -2.517 -6.905 -3.105 1.00 0.00 O ATOM 548 OD2 ASP A 36 -2.461 -9.034 -3.651 1.00 0.00 O ATOM 0 H ASP A 36 -3.112 -6.223 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.699 -9.072 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.016 -7.846 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.552 -9.497 -1.391 1.00 0.00 H new ATOM 553 N MET A 37 -2.937 -9.080 1.887 1.00 0.00 N ATOM 554 CA MET A 37 -2.465 -9.163 3.264 1.00 0.00 C ATOM 555 C MET A 37 -1.948 -10.563 3.578 1.00 0.00 C ATOM 556 O MET A 37 -2.095 -11.053 4.698 1.00 0.00 O ATOM 557 CB MET A 37 -3.588 -8.792 4.234 1.00 0.00 C ATOM 558 CG MET A 37 -3.851 -7.298 4.317 1.00 0.00 C ATOM 559 SD MET A 37 -5.332 -6.904 5.267 1.00 0.00 S ATOM 560 CE MET A 37 -5.198 -5.122 5.381 1.00 0.00 C ATOM 0 H MET A 37 -3.699 -9.720 1.663 1.00 0.00 H new ATOM 0 HA MET A 37 -1.644 -8.456 3.383 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.504 -9.297 3.927 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.337 -9.164 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.991 -6.807 4.772 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.953 -6.895 3.310 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.995 -4.737 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.232 -4.856 5.810 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.285 -4.686 4.386 1.00 0.00 H new ATOM 570 N SER A 38 -1.342 -11.203 2.583 1.00 0.00 N ATOM 571 CA SER A 38 -0.807 -12.549 2.752 1.00 0.00 C ATOM 572 C SER A 38 0.433 -12.532 3.641 1.00 0.00 C ATOM 573 O SER A 38 0.586 -13.374 4.527 1.00 0.00 O ATOM 574 CB SER A 38 -0.464 -13.159 1.392 1.00 0.00 C ATOM 575 OG SER A 38 -0.407 -14.573 1.467 1.00 0.00 O ATOM 0 H SER A 38 -1.209 -10.811 1.651 1.00 0.00 H new ATOM 0 HA SER A 38 -1.571 -13.159 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.212 -12.861 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.495 -12.771 1.047 1.00 0.00 H new ATOM 0 HG SER A 38 -0.188 -14.939 0.585 1.00 0.00 H new ATOM 581 N ASP A 39 1.314 -11.568 3.399 1.00 0.00 N ATOM 582 CA ASP A 39 2.540 -11.440 4.177 1.00 0.00 C ATOM 583 C ASP A 39 2.412 -10.329 5.215 1.00 0.00 C ATOM 584 O ASP A 39 2.690 -9.164 4.931 1.00 0.00 O ATOM 585 CB ASP A 39 3.728 -11.159 3.256 1.00 0.00 C ATOM 586 CG ASP A 39 4.271 -12.419 2.611 1.00 0.00 C ATOM 587 OD1 ASP A 39 4.812 -13.274 3.342 1.00 0.00 O ATOM 588 OD2 ASP A 39 4.154 -12.549 1.374 1.00 0.00 O ATOM 0 H ASP A 39 1.202 -10.864 2.670 1.00 0.00 H new ATOM 0 HA ASP A 39 2.709 -12.382 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.423 -10.458 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.521 -10.676 3.827 1.00 0.00 H new ATOM 593 N THR A 40 1.987 -10.698 6.420 1.00 0.00 N ATOM 594 CA THR A 40 1.819 -9.733 7.499 1.00 0.00 C ATOM 595 C THR A 40 2.994 -8.764 7.558 1.00 0.00 C ATOM 596 O THR A 40 2.858 -7.637 8.033 1.00 0.00 O ATOM 597 CB THR A 40 1.678 -10.435 8.863 1.00 0.00 C ATOM 598 OG1 THR A 40 0.679 -11.458 8.787 1.00 0.00 O ATOM 599 CG2 THR A 40 1.307 -9.437 9.949 1.00 0.00 C ATOM 0 H THR A 40 1.753 -11.658 6.673 1.00 0.00 H new ATOM 0 HA THR A 40 0.905 -9.178 7.288 1.00 0.00 H new ATOM 0 HB THR A 40 2.638 -10.884 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.597 -11.900 9.658 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.213 -9.956 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.084 -8.676 10.025 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.358 -8.963 9.699 1.00 0.00 H new ATOM 607 N ASN A 41 4.148 -9.210 7.072 1.00 0.00 N ATOM 608 CA ASN A 41 5.348 -8.381 7.070 1.00 0.00 C ATOM 609 C ASN A 41 5.339 -7.415 5.889 1.00 0.00 C ATOM 610 O ASN A 41 5.676 -6.239 6.033 1.00 0.00 O ATOM 611 CB ASN A 41 6.599 -9.259 7.016 1.00 0.00 C ATOM 612 CG ASN A 41 6.615 -10.311 8.107 1.00 0.00 C ATOM 613 OD1 ASN A 41 6.834 -10.003 9.279 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.383 -11.562 7.726 1.00 0.00 N ATOM 0 H ASN A 41 4.277 -10.140 6.675 1.00 0.00 H new ATOM 0 HA ASN A 41 5.360 -7.800 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.655 -9.748 6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.485 -8.631 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.382 -12.313 8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.206 -11.771 6.744 1.00 0.00 H new ATOM 621 N TRP A 42 4.951 -7.918 4.723 1.00 0.00 N ATOM 622 CA TRP A 42 4.897 -7.099 3.517 1.00 0.00 C ATOM 623 C TRP A 42 3.508 -7.143 2.891 1.00 0.00 C ATOM 624 O TRP A 42 2.984 -8.217 2.596 1.00 0.00 O ATOM 625 CB TRP A 42 5.941 -7.576 2.506 1.00 0.00 C ATOM 626 CG TRP A 42 7.341 -7.177 2.865 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.360 -8.007 3.237 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.875 -5.849 2.887 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.495 -7.275 3.489 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.223 -5.948 3.281 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.345 -4.585 2.611 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.046 -4.832 3.406 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.163 -3.479 2.736 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.502 -3.608 3.130 1.00 0.00 C ATOM 0 H TRP A 42 4.669 -8.889 4.587 1.00 0.00 H new ATOM 0 HA TRP A 42 5.116 -6.069 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.889 -8.662 2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.696 -7.172 1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.285 -9.081 3.321 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.394 -7.657 3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.315 -4.475 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.078 -4.929 3.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.764 -2.498 2.526 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.116 -2.724 3.217 1.00 0.00 H new ATOM 645 N TRP A 43 2.918 -5.970 2.690 1.00 0.00 N ATOM 646 CA TRP A 43 1.588 -5.876 2.098 1.00 0.00 C ATOM 647 C TRP A 43 1.657 -5.278 0.697 1.00 0.00 C ATOM 648 O TRP A 43 2.415 -4.339 0.448 1.00 0.00 O ATOM 649 CB TRP A 43 0.672 -5.029 2.983 1.00 0.00 C ATOM 650 CG TRP A 43 0.186 -5.754 4.201 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.216 -7.102 4.419 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.402 -5.170 5.368 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.320 -7.391 5.651 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.705 -6.223 6.253 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.701 -3.860 5.753 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.293 -6.005 7.496 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.285 -3.645 6.987 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.575 -4.713 7.847 1.00 0.00 C ATOM 0 H TRP A 43 3.339 -5.072 2.928 1.00 0.00 H new ATOM 0 HA TRP A 43 1.179 -6.883 2.023 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.207 -4.131 3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.187 -4.702 2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.604 -7.833 3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.416 -8.324 6.052 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.480 -3.031 5.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.519 -6.827 8.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.522 -2.637 7.294 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.030 -4.512 8.806 1.00 0.00 H new ATOM 669 N LYS A 44 0.862 -5.826 -0.215 1.00 0.00 N ATOM 670 CA LYS A 44 0.832 -5.345 -1.592 1.00 0.00 C ATOM 671 C LYS A 44 -0.324 -4.373 -1.803 1.00 0.00 C ATOM 672 O LYS A 44 -1.491 -4.762 -1.764 1.00 0.00 O ATOM 673 CB LYS A 44 0.706 -6.523 -2.562 1.00 0.00 C ATOM 674 CG LYS A 44 1.310 -6.252 -3.929 1.00 0.00 C ATOM 675 CD LYS A 44 2.773 -6.660 -3.983 1.00 0.00 C ATOM 676 CE LYS A 44 3.183 -7.077 -5.386 1.00 0.00 C ATOM 677 NZ LYS A 44 2.779 -6.069 -6.405 1.00 0.00 N ATOM 0 H LYS A 44 0.230 -6.604 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 44 1.766 -4.819 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.192 -7.396 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.348 -6.772 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.751 -6.797 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.218 -5.192 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.396 -5.829 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.948 -7.484 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.263 -7.217 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.729 -8.038 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.233 -6.292 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.746 -6.087 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.076 -5.122 -6.093 1.00 0.00 H new ATOM 691 N GLY A 45 0.009 -3.105 -2.030 1.00 0.00 N ATOM 692 CA GLY A 45 -1.013 -2.098 -2.245 1.00 0.00 C ATOM 693 C GLY A 45 -0.565 -1.015 -3.207 1.00 0.00 C ATOM 694 O GLY A 45 0.600 -0.967 -3.603 1.00 0.00 O ATOM 0 H GLY A 45 0.968 -2.758 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.913 -2.575 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.279 -1.645 -1.290 1.00 0.00 H new ATOM 698 N THR A 46 -1.494 -0.142 -3.587 1.00 0.00 N ATOM 699 CA THR A 46 -1.190 0.943 -4.511 1.00 0.00 C ATOM 700 C THR A 46 -1.499 2.299 -3.887 1.00 0.00 C ATOM 701 O THR A 46 -2.600 2.525 -3.383 1.00 0.00 O ATOM 702 CB THR A 46 -1.982 0.802 -5.824 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.344 -0.151 -6.681 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.090 2.141 -6.538 1.00 0.00 C ATOM 0 H THR A 46 -2.463 -0.166 -3.269 1.00 0.00 H new ATOM 0 HA THR A 46 -0.124 0.881 -4.731 1.00 0.00 H new ATOM 0 HB THR A 46 -2.987 0.456 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.646 0.296 -7.204 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.654 2.016 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.603 2.856 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.091 2.512 -6.769 1.00 0.00 H new ATOM 712 N SER A 47 -0.522 3.200 -3.924 1.00 0.00 N ATOM 713 CA SER A 47 -0.690 4.534 -3.359 1.00 0.00 C ATOM 714 C SER A 47 -0.682 5.593 -4.457 1.00 0.00 C ATOM 715 O SER A 47 -1.728 6.119 -4.837 1.00 0.00 O ATOM 716 CB SER A 47 0.418 4.824 -2.346 1.00 0.00 C ATOM 717 OG SER A 47 0.461 6.202 -2.018 1.00 0.00 O ATOM 0 H SER A 47 0.394 3.030 -4.339 1.00 0.00 H new ATOM 0 HA SER A 47 -1.654 4.569 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.252 4.237 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.380 4.514 -2.755 1.00 0.00 H new ATOM 0 HG SER A 47 -0.319 6.433 -1.472 1.00 0.00 H new ATOM 723 N LYS A 48 0.507 5.903 -4.963 1.00 0.00 N ATOM 724 CA LYS A 48 0.654 6.898 -6.018 1.00 0.00 C ATOM 725 C LYS A 48 0.782 6.230 -7.383 1.00 0.00 C ATOM 726 O LYS A 48 1.860 5.776 -7.764 1.00 0.00 O ATOM 727 CB LYS A 48 1.879 7.776 -5.751 1.00 0.00 C ATOM 728 CG LYS A 48 1.620 8.897 -4.759 1.00 0.00 C ATOM 729 CD LYS A 48 1.100 10.145 -5.451 1.00 0.00 C ATOM 730 CE LYS A 48 -0.406 10.081 -5.658 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.010 11.438 -5.765 1.00 0.00 N ATOM 0 H LYS A 48 1.383 5.479 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.240 7.522 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.689 7.150 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.219 8.207 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.897 8.565 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.541 9.132 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.350 11.023 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.596 10.262 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.624 9.514 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.864 9.544 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.037 11.351 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.824 11.971 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.592 11.941 -6.573 1.00 0.00 H new ATOM 745 N GLY A 49 -0.326 6.174 -8.116 1.00 0.00 N ATOM 746 CA GLY A 49 -0.315 5.561 -9.431 1.00 0.00 C ATOM 747 C GLY A 49 0.742 4.482 -9.559 1.00 0.00 C ATOM 748 O GLY A 49 1.422 4.388 -10.581 1.00 0.00 O ATOM 0 H GLY A 49 -1.231 6.542 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.295 5.131 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.139 6.329 -10.185 1.00 0.00 H new ATOM 752 N ARG A 50 0.882 3.666 -8.519 1.00 0.00 N ATOM 753 CA ARG A 50 1.866 2.591 -8.518 1.00 0.00 C ATOM 754 C ARG A 50 1.377 1.407 -7.689 1.00 0.00 C ATOM 755 O ARG A 50 0.424 1.525 -6.918 1.00 0.00 O ATOM 756 CB ARG A 50 3.203 3.094 -7.970 1.00 0.00 C ATOM 757 CG ARG A 50 3.934 4.034 -8.914 1.00 0.00 C ATOM 758 CD ARG A 50 5.044 4.789 -8.200 1.00 0.00 C ATOM 759 NE ARG A 50 6.141 3.908 -7.808 1.00 0.00 N ATOM 760 CZ ARG A 50 7.240 4.331 -7.194 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.387 5.616 -6.903 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.195 3.469 -6.870 1.00 0.00 N ATOM 0 H ARG A 50 0.326 3.729 -7.666 1.00 0.00 H new ATOM 0 HA ARG A 50 2.005 2.259 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.028 3.606 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.843 2.238 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.355 3.464 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.226 4.744 -9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.425 5.575 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.638 5.278 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 50 6.058 2.913 -8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.655 6.282 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.232 5.939 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.086 2.480 -7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.038 3.796 -6.398 1.00 0.00 H new ATOM 776 N THR A 51 2.035 0.263 -7.854 1.00 0.00 N ATOM 777 CA THR A 51 1.667 -0.942 -7.123 1.00 0.00 C ATOM 778 C THR A 51 2.904 -1.700 -6.653 1.00 0.00 C ATOM 779 O THR A 51 3.632 -2.279 -7.458 1.00 0.00 O ATOM 780 CB THR A 51 0.802 -1.880 -7.986 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.202 -1.125 -8.674 1.00 0.00 O ATOM 782 CG2 THR A 51 0.140 -2.948 -7.128 1.00 0.00 C ATOM 0 H THR A 51 2.826 0.147 -8.488 1.00 0.00 H new ATOM 0 HA THR A 51 1.089 -0.621 -6.256 1.00 0.00 H new ATOM 0 HB THR A 51 1.450 -2.370 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.021 -1.103 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.465 -3.598 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.907 -3.540 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.496 -2.472 -6.382 1.00 0.00 H new ATOM 790 N GLY A 52 3.135 -1.692 -5.344 1.00 0.00 N ATOM 791 CA GLY A 52 4.285 -2.383 -4.790 1.00 0.00 C ATOM 792 C GLY A 52 4.061 -2.826 -3.358 1.00 0.00 C ATOM 793 O GLY A 52 2.965 -2.671 -2.816 1.00 0.00 O ATOM 0 H GLY A 52 2.547 -1.220 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.513 -3.254 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.154 -1.727 -4.832 1.00 0.00 H new ATOM 797 N LEU A 53 5.099 -3.380 -2.742 1.00 0.00 N ATOM 798 CA LEU A 53 5.011 -3.849 -1.363 1.00 0.00 C ATOM 799 C LEU A 53 4.991 -2.675 -0.389 1.00 0.00 C ATOM 800 O LEU A 53 5.487 -1.591 -0.698 1.00 0.00 O ATOM 801 CB LEU A 53 6.185 -4.774 -1.042 1.00 0.00 C ATOM 802 CG LEU A 53 6.030 -6.232 -1.477 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.131 -7.089 -0.872 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.660 -6.763 -1.082 1.00 0.00 C ATOM 0 H LEU A 53 6.012 -3.516 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 53 4.080 -4.404 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.080 -4.369 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.354 -4.753 0.035 1.00 0.00 H new ATOM 0 HG LEU A 53 6.117 -6.279 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.005 -8.123 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.102 -6.722 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.077 -7.037 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.567 -7.802 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.544 -6.702 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.886 -6.166 -1.564 1.00 0.00 H new ATOM 816 N ILE A 54 4.419 -2.900 0.789 1.00 0.00 N ATOM 817 CA ILE A 54 4.339 -1.862 1.809 1.00 0.00 C ATOM 818 C ILE A 54 4.438 -2.459 3.209 1.00 0.00 C ATOM 819 O ILE A 54 3.818 -3.476 3.523 1.00 0.00 O ATOM 820 CB ILE A 54 3.028 -1.062 1.696 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.698 -0.787 0.228 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.135 0.242 2.473 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.271 -0.335 0.003 1.00 0.00 C ATOM 0 H ILE A 54 4.004 -3.791 1.061 1.00 0.00 H new ATOM 0 HA ILE A 54 5.181 -1.190 1.642 1.00 0.00 H new ATOM 0 HB ILE A 54 2.220 -1.654 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.377 -0.023 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.880 -1.692 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.201 0.796 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.329 0.025 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.952 0.840 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.109 -0.159 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.585 -1.107 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.090 0.587 0.556 1.00 0.00 H new ATOM 835 N PRO A 55 5.234 -1.812 4.073 1.00 0.00 N ATOM 836 CA PRO A 55 5.432 -2.259 5.455 1.00 0.00 C ATOM 837 C PRO A 55 4.184 -2.067 6.310 1.00 0.00 C ATOM 838 O PRO A 55 3.561 -1.006 6.287 1.00 0.00 O ATOM 839 CB PRO A 55 6.568 -1.365 5.958 1.00 0.00 C ATOM 840 CG PRO A 55 6.485 -0.138 5.116 1.00 0.00 C ATOM 841 CD PRO A 55 6.003 -0.594 3.767 1.00 0.00 C ATOM 0 HA PRO A 55 5.654 -3.325 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.447 -1.129 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.535 -1.855 5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.798 0.588 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.457 0.349 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.383 0.162 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.834 -0.802 3.093 1.00 0.00 H new ATOM 849 N SER A 56 3.824 -3.101 7.064 1.00 0.00 N ATOM 850 CA SER A 56 2.648 -3.047 7.925 1.00 0.00 C ATOM 851 C SER A 56 2.985 -2.398 9.264 1.00 0.00 C ATOM 852 O SER A 56 2.347 -2.676 10.278 1.00 0.00 O ATOM 853 CB SER A 56 2.092 -4.454 8.152 1.00 0.00 C ATOM 854 OG SER A 56 2.894 -5.177 9.069 1.00 0.00 O ATOM 0 H SER A 56 4.330 -3.986 7.096 1.00 0.00 H new ATOM 0 HA SER A 56 1.891 -2.441 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.071 -4.389 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.047 -4.988 7.203 1.00 0.00 H new ATOM 0 HG SER A 56 2.774 -6.138 8.921 1.00 0.00 H new ATOM 860 N ASN A 57 3.992 -1.531 9.258 1.00 0.00 N ATOM 861 CA ASN A 57 4.415 -0.842 10.472 1.00 0.00 C ATOM 862 C ASN A 57 4.320 0.671 10.300 1.00 0.00 C ATOM 863 O ASN A 57 4.086 1.402 11.263 1.00 0.00 O ATOM 864 CB ASN A 57 5.849 -1.236 10.834 1.00 0.00 C ATOM 865 CG ASN A 57 6.831 -0.932 9.719 1.00 0.00 C ATOM 866 OD1 ASN A 57 7.022 0.225 9.344 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.459 -1.972 9.184 1.00 0.00 N ATOM 0 H ASN A 57 4.530 -1.289 8.426 1.00 0.00 H new ATOM 0 HA ASN A 57 3.748 -1.141 11.281 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.152 -0.705 11.736 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.883 -2.301 11.064 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.131 -1.829 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.269 -2.914 9.527 1.00 0.00 H new ATOM 874 N TYR A 58 4.501 1.133 9.068 1.00 0.00 N ATOM 875 CA TYR A 58 4.437 2.559 8.770 1.00 0.00 C ATOM 876 C TYR A 58 2.992 3.014 8.590 1.00 0.00 C ATOM 877 O TYR A 58 2.648 4.158 8.886 1.00 0.00 O ATOM 878 CB TYR A 58 5.243 2.874 7.509 1.00 0.00 C ATOM 879 CG TYR A 58 6.691 3.212 7.784 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.065 4.494 8.166 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.685 2.249 7.662 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.387 4.808 8.418 1.00 0.00 C ATOM 883 CE2 TYR A 58 9.009 2.553 7.913 1.00 0.00 C ATOM 884 CZ TYR A 58 9.355 3.834 8.291 1.00 0.00 C ATOM 885 OH TYR A 58 10.673 4.141 8.541 1.00 0.00 O ATOM 0 H TYR A 58 4.693 0.541 8.260 1.00 0.00 H new ATOM 0 HA TYR A 58 4.867 3.100 9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.200 2.017 6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.776 3.710 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.309 5.259 8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.418 1.245 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.660 5.810 8.713 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.769 1.792 7.814 1.00 0.00 H new ATOM 0 HH TYR A 58 11.226 3.343 8.407 1.00 0.00 H new ATOM 895 N VAL A 59 2.150 2.108 8.104 1.00 0.00 N ATOM 896 CA VAL A 59 0.741 2.413 7.886 1.00 0.00 C ATOM 897 C VAL A 59 -0.131 1.789 8.969 1.00 0.00 C ATOM 898 O VAL A 59 0.319 0.925 9.721 1.00 0.00 O ATOM 899 CB VAL A 59 0.265 1.914 6.509 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.161 2.456 5.405 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.227 0.394 6.477 1.00 0.00 C ATOM 0 H VAL A 59 2.419 1.157 7.854 1.00 0.00 H new ATOM 0 HA VAL A 59 0.643 3.498 7.925 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.746 2.284 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.809 2.093 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.132 3.546 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.184 2.119 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.112 0.059 5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.225 0.001 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.460 0.031 7.242 1.00 0.00 H new ATOM 911 N ALA A 60 -1.382 2.232 9.043 1.00 0.00 N ATOM 912 CA ALA A 60 -2.319 1.715 10.033 1.00 0.00 C ATOM 913 C ALA A 60 -3.758 1.848 9.549 1.00 0.00 C ATOM 914 O ALA A 60 -4.052 2.647 8.660 1.00 0.00 O ATOM 915 CB ALA A 60 -2.137 2.438 11.359 1.00 0.00 C ATOM 0 H ALA A 60 -1.770 2.948 8.429 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.109 0.655 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.843 2.042 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.119 2.287 11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.318 3.504 11.220 1.00 0.00 H new ATOM 921 N GLU A 61 -4.652 1.060 10.138 1.00 0.00 N ATOM 922 CA GLU A 61 -6.061 1.090 9.765 1.00 0.00 C ATOM 923 C GLU A 61 -6.617 2.508 9.853 1.00 0.00 C ATOM 924 O GLU A 61 -6.483 3.174 10.879 1.00 0.00 O ATOM 925 CB GLU A 61 -6.870 0.155 10.666 1.00 0.00 C ATOM 926 CG GLU A 61 -8.241 -0.192 10.108 1.00 0.00 C ATOM 927 CD GLU A 61 -8.217 -1.426 9.228 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.815 -1.309 8.051 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.600 -2.510 9.716 1.00 0.00 O ATOM 0 H GLU A 61 -4.425 0.393 10.876 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.145 0.750 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.306 -0.765 10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.992 0.622 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.935 -0.352 10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.619 0.653 9.533 1.00 0.00 H new ATOM 936 N GLN A 62 -7.241 2.961 8.771 1.00 0.00 N ATOM 937 CA GLN A 62 -7.816 4.300 8.726 1.00 0.00 C ATOM 938 C GLN A 62 -9.144 4.348 9.475 1.00 0.00 C ATOM 939 O GLN A 62 -10.044 3.551 9.212 1.00 0.00 O ATOM 940 CB GLN A 62 -8.019 4.743 7.275 1.00 0.00 C ATOM 941 CG GLN A 62 -6.808 5.440 6.677 1.00 0.00 C ATOM 942 CD GLN A 62 -6.833 6.940 6.892 1.00 0.00 C ATOM 943 OE1 GLN A 62 -7.068 7.709 5.959 1.00 0.00 O ATOM 944 NE2 GLN A 62 -6.589 7.366 8.126 1.00 0.00 N ATOM 0 H GLN A 62 -7.361 2.421 7.914 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.120 4.983 9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.262 3.871 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.876 5.415 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.901 5.028 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.764 5.231 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.399 6.694 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.592 8.365 8.330 1.00 0.00 H new ATOM 953 N SER A 63 -9.257 5.287 10.409 1.00 0.00 N ATOM 954 CA SER A 63 -10.474 5.435 11.199 1.00 0.00 C ATOM 955 C SER A 63 -10.609 6.861 11.725 1.00 0.00 C ATOM 956 O SER A 63 -9.633 7.608 11.786 1.00 0.00 O ATOM 957 CB SER A 63 -10.472 4.447 12.367 1.00 0.00 C ATOM 958 OG SER A 63 -9.701 4.938 13.450 1.00 0.00 O ATOM 0 H SER A 63 -8.522 5.956 10.637 1.00 0.00 H new ATOM 0 HA SER A 63 -11.326 5.222 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.495 4.267 12.697 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.071 3.489 12.036 1.00 0.00 H new ATOM 0 HG SER A 63 -9.717 4.289 14.184 1.00 0.00 H new ATOM 964 N GLY A 64 -11.828 7.232 12.105 1.00 0.00 N ATOM 965 CA GLY A 64 -12.070 8.567 12.621 1.00 0.00 C ATOM 966 C GLY A 64 -13.295 8.631 13.512 1.00 0.00 C ATOM 967 O GLY A 64 -14.266 7.898 13.322 1.00 0.00 O ATOM 0 H GLY A 64 -12.652 6.632 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.198 8.899 13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.194 9.258 11.788 1.00 0.00 H new ATOM 971 N PRO A 65 -13.258 9.523 14.512 1.00 0.00 N ATOM 972 CA PRO A 65 -14.365 9.700 15.457 1.00 0.00 C ATOM 973 C PRO A 65 -15.588 10.336 14.804 1.00 0.00 C ATOM 974 O PRO A 65 -15.500 10.894 13.711 1.00 0.00 O ATOM 975 CB PRO A 65 -13.779 10.635 16.518 1.00 0.00 C ATOM 976 CG PRO A 65 -12.702 11.382 15.812 1.00 0.00 C ATOM 977 CD PRO A 65 -12.132 10.429 14.798 1.00 0.00 C ATOM 0 HA PRO A 65 -14.717 8.749 15.855 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.537 11.312 16.912 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.382 10.074 17.364 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.099 12.275 15.328 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.934 11.713 16.511 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.797 10.950 13.901 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.272 9.889 15.193 1.00 0.00 H new ATOM 985 N SER A 66 -16.728 10.247 15.481 1.00 0.00 N ATOM 986 CA SER A 66 -17.970 10.811 14.965 1.00 0.00 C ATOM 987 C SER A 66 -17.809 12.299 14.670 1.00 0.00 C ATOM 988 O SER A 66 -17.634 13.108 15.581 1.00 0.00 O ATOM 989 CB SER A 66 -19.106 10.597 15.966 1.00 0.00 C ATOM 990 OG SER A 66 -18.790 11.163 17.226 1.00 0.00 O ATOM 0 H SER A 66 -16.818 9.790 16.388 1.00 0.00 H new ATOM 0 HA SER A 66 -18.215 10.299 14.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.022 11.046 15.582 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.297 9.530 16.081 1.00 0.00 H new ATOM 0 HG SER A 66 -18.297 12.000 17.094 1.00 0.00 H new ATOM 996 N SER A 67 -17.872 12.652 13.390 1.00 0.00 N ATOM 997 CA SER A 67 -17.730 14.042 12.973 1.00 0.00 C ATOM 998 C SER A 67 -18.342 14.984 14.005 1.00 0.00 C ATOM 999 O SER A 67 -19.334 14.653 14.654 1.00 0.00 O ATOM 1000 CB SER A 67 -18.393 14.259 11.612 1.00 0.00 C ATOM 1001 OG SER A 67 -17.563 13.795 10.561 1.00 0.00 O ATOM 0 H SER A 67 -18.020 11.995 12.624 1.00 0.00 H new ATOM 0 HA SER A 67 -16.666 14.263 12.890 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.349 13.737 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.604 15.319 11.472 1.00 0.00 H new ATOM 0 HG SER A 67 -18.010 13.943 9.701 1.00 0.00 H new ATOM 1007 N GLY A 68 -17.743 16.162 14.152 1.00 0.00 N ATOM 1008 CA GLY A 68 -18.243 17.135 15.106 1.00 0.00 C ATOM 1009 C GLY A 68 -17.526 18.467 15.005 1.00 0.00 C ATOM 1010 O GLY A 68 -17.973 19.368 14.295 1.00 0.00 O ATOM 0 H GLY A 68 -16.920 16.460 13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -19.310 17.287 14.941 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.130 16.741 16.116 1.00 0.00 H new TER 1014 GLY A 68